⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL933680 | 0.80 | — | — | |
| SCHEMBL24608667 | 0.65 | — | — | |
| SCHEMBL18328361 | 0.65 | — | — | |
| SCHEMBL1404008 | 0.65 | — | — | |
| SCHEMBL19597531 | 0.65 | — | — | |
| SCHEMBL912841 | 0.65 | — | — | |
| SCHEMBL30338589 | 0.65 | — | — | |
| SCHEMBL18320519 | 0.65 | — | — | |
| SCHEMBL1585841 | 0.65 | — | — | |
| SCHEMBL30101715 | 0.65 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7687502-B2 | Substituted quinazoline or pyridopyrimidine derivative | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2010-03-30 | — | — | US | disclosed |
| US-20080032996-A1 | Substituted Quinazoline or Pyridopyrimidine Derivative | MSD K.K. (JP) | 2008-02-07 | — | — | US | disclosed |
| EP-1734040-A1 | SUBSTITUTED QUINAZOLINE OR PYRIDOPYRIMIDINE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2006-12-20 | — | — | EP | disclosed |